MCULE-8045140194
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-3589319632
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8045140194.sdf |
| SMILES | MCULE-8045140194.smiles |
| Standard InChI | MCULE-8045140194.inchi |
| InChIKey | MCULE-8045140194.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867653044 | N/A | As is | in stock |
| P-901204086 | N/A | As is | by synthesis |
| P-612935574 | 95 | As is | in stock |
| P-904333393 | 90 | As is | 35.75 g |
| P-904025762 | N/A | As is | in stock |
| P-900248820 | 97 | As is | 10 g |
| P-596486518 | 90 | As is | 1000 mg |
| P-596271859 | 90 | As is | 1000 mg |
| P-896024156 | 95 | As is | in stock |
| P-904367050 | 95 | As is | 1.285 g |
| P-851249476 | 95 | As is | by synthesis |
| P-1263254159 | 95 | As is | by synthesis |
| P-580428670 | 95 | As is | by resynthesis (? - ? days) |
| P-596588674 | 90 | As is | 1000 mg |
| P-852388343 | N/A | As is | in stock |
| P-869020941 | 95 | As is | by synthesis |
| P-885524349 | 95 | As is | by synthesis |
| P-424946093 | 90 | As is | in stock |
| P-505617458 | 95 | As is | in stock |
| P-873237314 | 90 | As is | in stock |
| P-23109309 | 94 | As is | by resynthesis (? - ? days) |
| P-855221332 | 90 | As is | in stock |
| P-3229560 | 90 | As is | 1.091 g |
| P-1881061 | 90 | As is | 1.091 g |
| P-892955101 | N/A | As a main component | by synthesis |
| P-867593717 | 95 | As a main component | in stock |
| P-875752475 | N/A | As a main component | in stock |
| P-869181833 | 95 | As a main component | in stock |
| P-505348472 | 98 | As a main component | in stock |
| P-903085515 | 98 | As a main component | 300 g |
| P-580240171 | 95 | As a main component | by synthesis |
| P-606849044 | N/A | As a main component | in stock |
| P-489139601 | 97 | As a main component | in stock |
| P-596957032 | 98 | As a main component | 200 g |
| P-895933728 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864124218 | 95 | As a main component | in stock |
| P-584628930 | 95 | As a main component | 140 g |
| P-878235979 | 95 | As a main component | by synthesis |
| P-868578663 | 98 | As a main component | in stock |
| P-905337121 | 98 | As a main component | 24 g |
| P-861985455 | 98 | As a main component | 24 g |
| P-505509634 | 95 | As a main component | in stock |
| P-488551336 | 90 | As a main component | in stock |
| P-24433117 | 92 | As a main component | 300 mg |
| P-856005531 | 98 | As a main component | 100 mg |
| P-524162083 | 98 | As a main component | 100 g |
| P-580463280 | N/A | As a main component | by synthesis |
| P-852441543 | N/A | As a main component | in stock |
| P-854747639 | 95 | As a main component | in stock |
| P-454369423 | 92 | As a main component | in stock |
| P-500375153 | 98 | As a main component | by synthesis |
| P-889873186 | 95 | As a main component | by synthesis |
| P-596788427 | 95 | As a main component | 282 g |
| P-873222202 | 90 | As a main component | in stock |
| P-906779647 | 98 | As a main component | by synthesis |
| P-611397378 | 90 | As a main component | in stock |
| P-893938080 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.305 |
| logP | 2.1874 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 49.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.4323 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

